Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8237489 | 0.84 | CYP2A6 (0.44) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL9826144 | 0.78 | CYP2A6 (0.47) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL29935775 | 0.75 | CYP2A6 (0.47) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL30332313 | 0.75 | LMNA (0.43) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4611825 | 0.75 | LMNA (0.43) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL5858260 | 0.74 | CYP2A6 (0.44) | CYP2A6BRD4CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL2527060 | 0.73 | LMNA (0.42) | CYP2A6ADORA2AADORA1ADORA3ADORA2B | |
| Hydrochloric Acid SCHEMBL5857637 | 0.73 | CYP2A6 (0.42) | CYP2A6BRD4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22421808 | 0.72 | CYP2A6 (0.45) | CYP2A6ADORA2AADORA1GRM4ALOX5AP | |
| SCHEMBL885409 | 0.72 | PARP1 (0.44) | CYP2A6KDM4EALDH1A1SMN1; SMN2MAPK10 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7829584-B2 | Pyridines and pyridine N-oxides as modulators of thrombin | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-09 | — | — | US | disclosed |
| US-7829584-B2 | Pyridines and pyridine N-oxides as modulators of thrombin | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-09 | — | — | US | disclosed |
| US-7829584-B2 | Pyridines and pyridine N-oxides as modulators of thrombin | JANSSEN PHARMACEUTICA NV (BE) | 2010-11-09 | — | — | US | disclosed |
| US-20070225282-A1 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-09-27 | — | — | US | disclosed |
| US-20070225282-A1 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-09-27 | — | — | US | disclosed |
| US-20070225282-A1 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, N.V. (BE) | 2007-09-27 | — | — | US | disclosed |
| WO-2007109459-A2 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, NV (BE) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007109459-A2 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | JANSSEN PHARMACEUTICA, NV (BE) | 2007-09-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070225282-A1 | PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN | F2, F11, TBXAS1 | CYP2A6 857/4885ADORA2A 713/4885ADORA1 277/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.